* LIGAND DATABASE FILE (OPLS2005)
*
001      98   102    188    314     573
    1     0 S   NP   _N1_     1    28.14136    98.11677   -22.24210
    2     1 S   H    _HN1     2     1.02776   102.25669  -106.40366
    3     1 S   H    _H1_     3     1.02957    66.02004    -1.58326
    4     1 S   H    _H2_     4     1.02835    45.68019   150.45707
    5     1 S   CT   _CA1     5     1.50154   143.95635    90.51299
    6     5 S   HC   _HA1     6     1.09576   105.18658   100.68623
    7     5 S   CO3  _C1_     7     1.53767   112.30404   -19.45794
    8     7 S   O2Z  _O11     8     1.26371   114.98600   -44.45141
    9     7 S   O2Z  _O12     9     1.26227   114.92239   134.47219
   10     5 S   CT   _CB1    10     1.53083   107.39956  -141.44163
   11    10 S   HC   HB11    11     1.09833   109.27915   -50.23965
   12    10 S   HC   HB12    12     1.09814   110.45461    66.29136
   13    10 S   CT   _CG1    13     1.53047   112.72550  -171.28129
   14    13 S   HC   HG11    14     1.09590   110.55382   -65.69201
   15    13 S   HC   HG12    15     1.09661   109.87047    53.53505
   16    13 S   C    _CD1    16     1.51863   112.18765   173.87689
   17    16 S   O    _OE1    17     1.22775   123.23978     3.79617
   18    16 S   N    _N2_    18     1.38536   111.83724  -176.18335
   19    18 S   H    _HN2    19     1.01584   119.19282     3.04992
   20    18 S   CT1  _CA2    20     1.45870   122.77027   177.68912
   21    20 S   HC   _HA2    21     1.09731   108.81215    27.64536
   22    20 S   C    _C2_    22     1.52946   106.92906   -89.48050
   23    22 S   O    _O2_    23     1.22994   123.03133   -28.75357
   24    20 S   CT   _CB2    32     1.53220   112.23548   150.87861
   25    24 S   HC   HB21    33     1.09445   109.61972    54.97280
   26    24 S   HC   HB22    34     1.09455   109.83630   173.58173
   27    22 S   N    _N3_    24     1.38507   112.61706   153.76024
   28    27 S   H    _HN3    25     1.01656   120.36261    -1.08715
   29    24 S   S    _SG2    35     1.83086   110.67943   -66.49664
   30    27 S   CT   _CA3    26     1.45353   122.41578   178.74041
   31    30 S   HC   HA31    27     1.09569   107.55879   -61.79617
   32    30 S   HC   HA32    28     1.09574   107.83578    54.50790
   33    29 S   CT   _C26    36     1.94168   101.19752   170.39833
   34    30 S   CO3  _C3_    29     1.52886   114.41477   176.52329
   35    34 S   O2Z  _O31    30     1.26326   116.09917     1.12257
   36    34 S   O2Z  _O32    31     1.26455   114.39613  -178.83904
   37    33 S   CO4  _C27    37     1.54099   101.80762   -64.11451
   38    37 S   O    _O36    38     1.23179   123.05140   -48.19025
   39    33 S   CM   _C17    49     1.53757   107.28663    55.23381
   40    37 S   CA   _C13    39     1.47075   118.65236   132.50344
   41    39 S   CT   _C18    50     1.55291   111.10471    62.08343
   42    41 S   HC   _H7_    51     1.09224   110.36670   -58.03096
   43    40 S   CA   _C12    40     1.40736   116.83600   165.97864
   44    43 S   HA   _H14    41     1.08784   121.03198     0.18767
   45    41 S   CT   _C19    52     1.52623   109.74806    63.21328
   46    45 S   HC   _H16    53     1.09343   108.32275    70.92451
   47    45 S   HC   _H17    54     1.09985   107.92411  -176.49586
   48    41 S   OH   _O40    75     1.42914   116.33746  -176.41756
   49    48 S   HO   _H27    76     0.97351   107.66155    23.94905
   50    43 S   CA   _C11    42     1.38842   120.91430  -178.81320
   51    50 S   HA   _H13    43     1.08679   118.91200   179.10562
   52    45 S   CT   _C20    55     1.54065   113.82833   -54.70694
   53    50 S   CA   _C10    44     1.39325   120.08772    -0.18452
   54    52 S   CT   _C21    56     1.54766   109.71751   172.60920
   55    54 S   HC   _H18    57     1.09933   108.80920    49.90837
   56    54 S   HC   _H19    58     1.09972   108.83489   161.58036
   57    52 S   OH   _O39    73     1.44429   104.51249   -74.63363
   58    57 S   HO   _H26    74     0.97494   105.89057   158.52266
   59    53 S   CA   _C15    45     1.41377   118.20134     0.71710
   60    54 S   CT   _C22    59     1.54082   115.05939   -74.70282
   61    53 S   CT   _C9_    79     1.51921   120.45043   178.56101
   62    61 S   HC   _H6_    80     1.09735   109.06103   149.74679
   63    40 S   CA   _C14    46     1.39864   121.16636   -13.14268
   64    60 S   CT   _C23    60     1.52943   114.47851   -10.49447
   65    64 S   HC   _H20    61     1.09810   109.61671  -158.78275
   66    64 S   HC   _H21    62     1.09373   112.85773    82.72791
   67    60 S   CT   _C28    67     1.53406   111.07069   114.21504
   68    67 S   HC   _H22    68     1.09621   110.96628    58.40007
   69    67 S   HC   _H23    69     1.09421   111.89431   -62.76259
   70    67 S   HC   _H24    70     1.09626   110.76527   176.16049
   71    60 S   OH   _O38    71     1.43669   108.04307  -129.62378
   72    71 S   HO   _H25    72     0.97244   107.98820   -55.87331
   73    59 S   OH   _O34    77     1.37931   114.65669   177.54952
   74    73 S   HO   _H15    78     0.97494   107.60352   178.01111
   75    61 S   CT   _C8_    81     1.53039   110.71082   -88.48322
   76    75 S   HC   _H11    82     1.09708   111.34297   -59.17997
   77    75 S   HC   _H12    83     1.09901   110.35787    57.98300
   78    63 S   CMA  _C16    47     1.52746   121.85394    -1.96254
   79    78 S   OM   _O41    48     1.26843   118.11682  -169.71258
   80    64 S   CO4  _C24    63     1.51427   112.77831   -39.17858
   81    80 S   O    _O35    64     1.23609   118.33416  -133.06717
   82    75 S   CT   _C7_    84     1.52613   110.67828   178.28936
   83    82 S   HC   _H5_    85     1.09673   110.36882    70.26642
   84    33 S   CT   _C25    65     1.59133   112.70212   175.22250
   85    84 S   OM   _O37    66     1.33074   111.42108    53.38349
   86    82 S   CT   _C6_    86     1.53167   110.74830   -51.78449
   87    86 S   HC   _H4_    87     1.09709   108.90850   -70.99784
   88    82 S   OH   _O42    97     1.42593   109.36832  -172.14782
   89    88 S   HO   _H28    98     0.97249   107.54845   -58.29009
   90    86 S   CT   _C5_    88     1.53432   110.78166    50.38499
   91    90 S   HC   _H3_    89     1.09799   110.37942    66.46574
   92    86 S   OH   _O43    95     1.42687   109.80001   172.17797
   93    92 S   HO   _H29    96     0.97227   108.07358   -58.55255
   94    61 S   OS   _O33    90     1.43502   109.96557    32.91403
   95    90 S   CT   _C4_    91     1.52520   111.59684  -173.95889
   96    95 S   HC   _H8_    92     1.09564   110.91436    60.53211
   97    95 S   HC   _H9_    93     1.09395   111.69476   -60.95458
   98    95 S   HC   _H10    94     1.09555   110.28249   178.38444
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  20   2   1   1  14   5  16  11  13   7   8   4  15   6   5   3
   1   9   3  13  13  17   7   6   5   1   9  12  14   6   4  12
   6   5   6   3   2   1   2   1   2   1  11   6   5   2   1   3
   2  11   6   1   1  12   7   3   1   8   6   3   1   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    84    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    78    39    41    52    80    84    85  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    63    78    79    39    41    42    45    52    54    64    80    81    84    85    57    48  
   35    36  
   36  
    0  
   38    40    43    44    50    59    63    78    39    41    52    80    84    85  
   40    43    63    39    84  
   41    42    45    46    47    52    80    84    85    48    49    40    59    63    78    79  
   43    44    50    51    53    59    63    78    79    84    73  
   42    45    46    47    52    54    84    57    48    49    63    78    79  
   45    46    47    52    48    49    78  
   44    50    51    53    59    63    78    61  
   50    51    53    63  
   46    47    52    54    55    56    60    80    84    85    57    58    48    49    78  
   47    52    54    84    57    48  
   52    54    84    57    48  
   49    52    78  
    0  
   51    53    59    63    73    61    62    75    94  
   53    59    61  
   54    55    56    60    64    80    81    84    85    67    71    57    58  
   59    63    78    73    74    61    62    75    76    77    82    90    94  
   55    56    60    64    65    66    80    84    85    67    68    69    70    71    72    57    58  
   56    60    64    84    67    71    57  
   60    64    84    67    71    57  
   58    60    80    84    85  
   84  
   63    78    79    73    74    61    62    75    94  
   64    65    66    80    81    84    67    68    69    70    71    72  
   62    75    76    77    82    83    86    90    91    94    95    88    63    73  
   75    76    77    82    90    94  
   78    79    73    74  
   65    66    80    81    84    85    67    68    69    70    71    72  
   66    80    81    84    67    71  
   80    81    84    67    71  
   68    69    70    71    72    80  
   69    70    71  
   70    71  
   71  
   72    80  
    0  
   74    78  
    0  
   76    77    82    83    86    87    90    94    92    88    89  
   77    82    83    86    94    88  
   82    83    86    94    88  
   79    84  
    0  
   81    84    85  
   84    85  
   83    86    87    90    91    94    95    92    93    88    89  
   86    87    90    92    88    89  
   85  
    0  
   87    90    91    94    95    96    97    98    92    93    88    89  
   90    91    94    95    92    93    88  
   89    90    92  
    0  
   91    94    95    96    97    98    92    93  
   94    95    96    97    98    92  
   93    94    95  
    0  
   95    96    97    98  
   96    97    98  
   97    98  
   98  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   79   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   80   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   86   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   317.000  1.510
   33    84   268.000  1.529
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    63   469.000  1.400
   43    44   367.000  1.080
   43    50   469.000  1.400
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    59   469.000  1.400
   53    61   317.000  1.510
   59    63   469.000  1.400
   59    73   450.000  1.364
   63    78   320.000  1.460
   78    79   745.000  1.250
   78    39   465.000  1.376
   39    41   317.000  1.510
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    48   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   268.000  1.529
   52    54   268.000  1.529
   52    84   268.000  1.529
   52    57   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    64   268.000  1.529
   60    67   268.000  1.529
   60    71   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    80   317.000  1.522
   80    81   570.000  1.229
   80    84   317.000  1.522
   84    85   570.000  1.307
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   553.000  0.945
   57    58   553.000  0.945
   48    49   553.000  0.945
   73    74   553.000  0.945
   61    62   340.000  1.090
   61    75   268.000  1.529
   61    94   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    82   268.000  1.529
   82    83   340.000  1.090
   82    86   268.000  1.529
   82    88   320.000  1.410
   86    87   340.000  1.090
   86    90   268.000  1.529
   86    92   320.000  1.410
   90    91   340.000  1.090
   90    94   320.000  1.410
   90    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   92    93   553.000  0.945
   88    89   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  112.20000
   29    33    84    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    39    78    70.00000  124.00000
   33    39    41    65.00000  117.92700
   33    84    52    58.35000  112.70000
   33    84    80    63.00000  111.10000
   33    84    85    50.00000  109.50000
   37    40    43    60.00000  119.52600
   37    40    63    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    44    35.00000  120.00000
   40    43    50    63.00000  120.00000
   40    63    59    63.00000  120.00000
   40    63    78    60.00000  120.93500
   43    50    51    35.00000  120.00000
   43    50    53    63.00000  120.00000
   50    43    44    35.00000  120.00000
   50    53    59    63.00000  120.00000
   50    53    61    70.00000  120.00000
   53    50    51    35.00000  120.00000
   53    59    63    63.00000  120.00000
   53    59    73    70.00000  120.00000
   53    61    62    35.00000  109.50000
   53    61    75    70.00000  112.17500
   53    61    94    85.00000  111.85700
   59    63    78    60.00000  120.93500
   59    73    74    35.00000  113.00000
   63    40    43    63.00000  120.00000
   63    78    79    85.00000  114.86500
   63    78    39    60.00000  123.20500
   78    39    41    70.00000  124.00000
   39    33    37    70.00000  109.06800
   39    78    79    65.00000  137.10300
   39    41    42    35.00000  109.50000
   39    41    45    70.00000  112.02700
   39    41    48    90.00000  110.39200
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    52    58.35000  112.70000
   41    48    49    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    52    54    58.35000  112.70000
   45    52    84    58.35000  112.70000
   45    52    57    50.00000  109.50000
   47    45    46    33.00000  107.80000
   52    45    46    37.50000  110.70000
   52    45    47    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    60    58.35000  112.70000
   52    84    80    63.00000  111.10000
   52    84    85    50.00000  109.50000
   52    57    58    55.00000  108.50000
   54    60    64    58.35000  112.70000
   54    60    67    58.35000  112.70000
   54    60    71    50.00000  109.50000
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    80    63.00000  111.10000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    37.50000  110.70000
   60    71    72    55.00000  108.50000
   64    80    81    80.00000  120.40000
   64    80    84    70.00000  116.00000
   66    64    65    33.00000  107.80000
   80    64    65    35.00000  109.50000
   80    64    66    35.00000  109.50000
   80    84    85    90.00000  108.74100
   84    33    37    63.00000  111.10000
   84    33    39    70.00000  112.02700
   84    52    54    58.35000  112.70000
   84    80    81    80.00000  120.40000
   67    60    64    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    60    64    50.00000  109.50000
   71    60    67    50.00000  109.50000
   57    52    54    50.00000  109.50000
   57    52    84    50.00000  109.50000
   48    41    42    35.00000  109.50000
   48    41    45    50.00000  109.50000
   73    59    63    70.00000  120.00000
   61    53    59    70.00000  120.00000
   61    75    76    37.50000  110.70000
   61    75    77    37.50000  110.70000
   61    75    82    58.35000  112.70000
   61    94    90    60.00000  109.50000
   75    61    62    37.50000  110.70000
   75    82    83    37.50000  110.70000
   75    82    86    58.35000  112.70000
   75    82    88    50.00000  109.50000
   77    75    76    33.00000  107.80000
   82    75    76    37.50000  110.70000
   82    75    77    37.50000  110.70000
   82    86    87    37.50000  110.70000
   82    86    90    58.35000  112.70000
   82    86    92    50.00000  109.50000
   82    88    89    55.00000  108.50000
   86    82    83    37.50000  110.70000
   86    90    91    37.50000  110.70000
   86    90    94    50.00000  109.50000
   86    90    95    58.35000  112.70000
   86    92    93    55.00000  108.50000
   90    86    87    37.50000  110.70000
   90    95    96    37.50000  110.70000
   90    95    97    37.50000  110.70000
   90    95    98    37.50000  110.70000
   94    61    62    35.00000  109.50000
   94    61    75    50.00000  109.50000
   94    90    91    35.00000  109.50000
   95    90    91    37.50000  110.70000
   95    90    94    50.00000  109.50000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   92    86    87    35.00000  109.50000
   92    86    90    50.00000  109.50000
   88    82    83    35.00000  109.50000
   88    82    86    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    84   0.01700  1.0 1.0
   24    29    33    84  -0.23550 -1.0 2.0
   24    29    33    84   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    39    78   0.42700  1.0 1.0
   29    33    39    78  -0.70350 -1.0 2.0
   29    33    39    78  -0.43150  1.0 3.0
   29    33    39    41   0.30250  1.0 1.0
   29    33    39    41  -0.14950 -1.0 2.0
   29    33    39    41   0.36900  1.0 3.0
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   88    82    86    90  -0.17500 -1.0 2.0
   88    82    86    90   0.20800  1.0 3.0
   88    82    86    92   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   43    63    40    37   4.00000 -1.0 2.0
   50    44    43    40   1.10000 -1.0 2.0
   53    51    50    43   1.10000 -1.0 2.0
   59    61    53    50   4.00000 -1.0 2.0
   63    73    59    53   4.00000 -1.0 2.0
   59    78    63    40   4.00000 -1.0 2.0
   63    79    78    39   1.10000 -1.0 2.0
   33    41    39    78   1.10000 -1.0 2.0
   64    84    80    81  10.50000 -1.0 2.0
END
